Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1c[nH]cn1)[C@@H]1COC2(CCCC2)C1 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAT-POS-f2460aef-1
BRU-THA-92256091-40
0.949
ALP-POS-ced8ea4d-57
0.796
ALP-POS-e980f4ea-57
0.761
BRU-THA-92256091-49
0.727
BRU-THA-92256091-10
0.716
BRU-THA-92256091-39
0.716
BRU-THA-92256091-36
0.712
BRU-THA-92256091-9
0.710
BRU-THA-92256091-13
0.710
BRU-THA-92256091-34
0.709
BRU-THA-92256091-1
0.706
BRU-THA-92256091-46
0.699
BRU-THA-92256091-50
0.696
BRU-THA-92256091-2
0.694
BRU-THA-92256091-38
0.691
BRU-THA-92256091-37
0.690
BRU-THA-92256091-33
0.679
BRU-THA-92256091-70
0.678
BRU-THA-92256091-71
0.673
BRU-THA-92256091-5
0.670
BRU-THA-92256091-25
0.670
BRU-THA-92256091-69
0.670
BRU-THA-92256091-3
0.670
BRU-THA-92256091-56
0.669
BRU-THA-92256091-29
0.667
BRU-THA-92256091-58
0.655
BRU-THA-92256091-4
0.655
BRU-THA-92256091-47
0.653
BRU-THA-92256091-72
0.652
BRU-THA-92256091-74
0.652
BRU-THA-92256091-82
0.647
BRU-THA-92256091-81
0.647
BRU-THA-92256091-89
0.639
BRU-THA-92256091-73
0.630
BRU-THA-92256091-57
0.624
BRU-THA-92256091-90
0.623
BRU-THA-92256091-35
0.602
BRU-THA-92256091-53
0.587
BRU-THA-92256091-45
0.587
BRU-THA-92256091-80
0.571
ALP-POS-ced8ea4d-56
0.570
BRU-THA-92256091-11
0.568
ALP-POS-ced8ea4d-14
0.567
ALP-POS-e980f4ea-56
0.567
ALP-POS-ced8ea4d-13
0.559
ALP-POS-ced8ea4d-22
0.559
BRU-THA-92256091-79
0.557
ALP-POS-1245c3fa-1
0.557
ALP-POS-ced8ea4d-61
0.556
ALP-POS-1245c3fa-2
0.556
BRU-THA-92256091-7
0.553
BRU-THA-92256091-8
0.553
ALP-POS-e980f4ea-13
0.552
ALP-POS-e980f4ea-22
0.552
BRU-THA-92256091-27
0.551
ALP-POS-e980f4ea-14
0.550
ALP-POS-ced8ea4d-66
0.550
BRU-THA-92256091-75
0.550
ALP-POS-ced8ea4d-45
0.549
ALP-POS-ced8ea4d-6
0.548
BRU-THA-92256091-6
0.547
ALP-POS-ced8ea4d-2
0.545
WIL-UNI-354943b6-12
0.545
BRU-THA-92256091-24
0.543
BRU-THA-92256091-15
0.542
BRU-THA-92256091-20
0.542
WIL-UNI-354943b6-4
0.540
BRU-THA-92256091-84
0.539
BRU-THA-92256091-22
0.538
BRU-THA-92256091-32
0.538
ALP-POS-e980f4ea-61
0.537
MAT-POS-f2460aef-3
0.534
ALP-POS-e980f4ea-66
0.533
BRU-THA-92256091-31
0.533
ALP-POS-ced8ea4d-42
0.532
BRU-THA-92256091-19
0.529
WIL-UNI-354943b6-7
0.529
WIL-UNI-354943b6-3
0.529
ALP-POS-e980f4ea-6
0.528
ALP-POS-ced8ea4d-43
0.528
BRU-THA-92256091-18
0.525
WIL-UNI-354943b6-2
0.525
WIL-UNI-354943b6-10
0.525
BRU-THA-92256091-21
0.525
ALP-POS-e980f4ea-42
0.524
BRU-THA-92256091-83
0.524
BRU-THA-92256091-91
0.523
BRU-THA-92256091-23
0.521
BRU-THA-92256091-30
0.521
ALP-POS-e980f4ea-2
0.521
ALP-POS-e980f4ea-45
0.520
BRU-THA-92256091-26
0.520
BRU-THA-92256091-85
0.520
WIL-UNI-354943b6-8
0.520
ALP-POS-ced8ea4d-55
0.520
BRU-THA-92256091-54
0.520
BRU-THA-92256091-17
0.516
BRU-THA-92256091-14
0.516
BRU-THA-92256091-16
0.516
ALP-POS-e980f4ea-43
0.516